- InChI
- InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
- InChI Key
- ALYNCZNDIQEVRV-UHFFFAOYSA-N
- Formula
- C7H7NO2
- SMILES
- Nc1ccc(C(=O)O)cc1
- Molecular Weight1
- 137.14
- CAS
- 150-13-0
- Other Names
-
- benzoic acid, 4-amino-
- p-Aminobenzoic acid
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 864.70 | kJ/mol | NIST |
| BasG | 832.30 | kJ/mol | NIST |
| ΔcH°solid | [-3427.00; -3342.00] | kJ/mol |
|
| ΔcH°solid | -3345.00 ± 1.50 | kJ/mol | NIST |
| ΔcH°solid | -3342.00 ± 0.40 | kJ/mol | NIST |
| ΔcH°solid | -3427.00 | kJ/mol | NIST |
| ΔfG° | -88.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.90 ± 4.10 | kJ/mol | NIST |
| ΔfH°solid | [-413.00; -328.30] | kJ/mol |
|
| ΔfH°solid | -410.00 ± 1.70 | kJ/mol | NIST |
| ΔfH°solid | -413.00 ± 0.40 | kJ/mol | NIST |
| ΔfH°solid | -328.30 | kJ/mol | NIST |
| ΔfusH° | 25.00 | kJ/mol | Solutio... |
| ΔsubH° | [116.00; 116.10] | kJ/mol |
|
| ΔsubH° | 116.10 ± 3.70 | kJ/mol | NIST |
| ΔsubH° | 116.10 ± 3.70 | kJ/mol | NIST |
| ΔsubH° | 116.00 ± 3.70 | kJ/mol | NIST |
| ΔvapH° | 68.18 | kJ/mol | Joback Calculated Property |
| IE | [7.80; 8.40] | eV |
|
| IE | 8.30 | eV | NIST |
| IE | 7.80 | eV | NIST |
| IE | 8.40 ± 0.20 | eV | NIST |
| IE | 8.40 | eV | NIST |
| log10WS | [-1.37; -0.63] |
|
|
| log10WS | -0.63 | Aq. Sol... | |
| log10WS | -1.37 | Rytting... | |
| logPoct/wat | 0.967 | Crippen Calculated Property | |
| McVol | 103.150 | ml/mol | McGowan Calculated Property |
| Pc | 5390.71 | kPa | Joback Calculated Property |
| Inp | 1547.00 | NIST | |
| Tboil | 609.80 | K | Joback Calculated Property |
| Tc | 828.81 | K | Joback Calculated Property |
| Tfus | [461.40; 461.68] | K |
|
| Tfus | 461.68 | K | Aq. Sol... |
| Tfus | 461.40 ± 0.60 | K | NIST |
| Vc | 0.373 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [240.14; 281.56] | J/mol×K | [609.80; 828.81] |
|
| Cp,gas | 240.14 | J/mol×K | 609.80 | Joback Calculated Property |
| Cp,gas | 248.38 | J/mol×K | 646.30 | Joback Calculated Property |
| Cp,gas | 256.05 | J/mol×K | 682.80 | Joback Calculated Property |
| Cp,gas | 263.18 | J/mol×K | 719.31 | Joback Calculated Property |
| Cp,gas | 269.79 | J/mol×K | 755.81 | Joback Calculated Property |
| Cp,gas | 275.91 | J/mol×K | 792.31 | Joback Calculated Property |
| Cp,gas | 281.56 | J/mol×K | 828.81 | Joback Calculated Property |
| Cp,solid | [177.80; 187.40] | J/mol×K | [298.00; 323.00] |
|
| Cp,solid | 177.80 | J/mol×K | 298.00 | NIST |
| Cp,solid | 187.40 | J/mol×K | 323.00 | NIST |
| ΔfusH | [20.92; 24.50] | kJ/mol | [458.70; 461.40] |
|
| ΔfusH | 22.62 | kJ/mol | 458.70 | NIST |
| ΔfusH | 24.50 | kJ/mol | 459.20 | NIST |
| ΔfusH | 20.92 | kJ/mol | 461.40 | NIST |
| ΔfusH | 20.92 | kJ/mol | 461.40 | NIST |
| ΔfusH | 20.92 | kJ/mol | 461.40 | NIST |
| ΔsubH | [112.00; 114.00] | kJ/mol | [373.00; 378.00] |
|
| ΔsubH | 112.00 ± 1.00 | kJ/mol | 373.00 | NIST |
| ΔsubH | 114.00 ± 3.50 | kJ/mol | 378.00 | NIST |
| ΔfusS | 45.30 | J/mol×K | 461.40 | NIST |
Similar Compounds
Find more compounds similar to 4-aminobenzoic acid.
Mixtures
- 1-Octanol + 4-aminobenzoic acid
- Carbon dioxide + 4-aminobenzoic acid
- Carbon dioxide + 1,2-Benzenedicarboxylic acid + 4-aminobenzoic acid
- Carbon dioxide + Benzoic acid, 2-hydroxy-5-sulfo- + 4-aminobenzoic acid
Sources
- Crippen Method
- Solubility of mixed solids in supercritical carbon dioxide
- Solution thermodynamics of pyrazinamide, isoniazid, and p-aminobenzoic acid in buffers and octanol
- Mixed Solubilities of 5-Sulfosalicylic Acid and p-Aminobenzoic Acid in Supercritical Carbon Dioxide
- Joback Method
- Aqueous Solubility Prediction Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.